3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole

C23H29N3O — CID 170864334

IUPAC3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole
SMILESCN1CCN(CCCc2c[nH]c3cc(OCc4ccccc4)ccc23)CC1
InChIInChI=1S/C23H29N3O/c1-25-12-14-26(15-13-25)11-5-8-20-17-24-23-16-21(9-10-22(20)23)27-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17,24H,5,8,11-15,18H2,1H3
InChIKeyMQMRBUNQTWOLBS-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.93
Rot. Bonds7

About 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole

3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole (PubChem CID 170864334) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole
PubChem CID170864334
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole
SMILESCN1CCN(CCCc2c[nH]c3cc(OCc4ccccc4)ccc23)CC1
InChIInChI=1S/C23H29N3O/c1-25-12-14-26(15-13-25)11-5-8-20-17-24-23-16-21(9-10-22(20)23)27-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17,24H,5,8,11-15,18H2,1H3
InChIKeyMQMRBUNQTWOLBS-UHFFFAOYSA-N
XLogP3.93
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
1-[3-(5-bromo-2-phenylmethoxyphenyl)propyl]-4-methylpiperazine
CID 170863402
tert-butyl N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]carbamate
CID 21071678
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327
1-(2-phenylethyl)-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]piperidin-4-amine
CID 23967992
4-[3-[2,5-bis(phenylmethoxy)phenyl]propyl]morpholine
CID 170870322
3-(2-isoindol-2-ylethyl)-5-phenylmethoxy-1H-indole
CID 57018326
N-[2-(6-phenylmethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 84580289
3-[(4-methylphenyl)sulfonylmethyl]-6-phenylmethoxy-1H-indole
CID 146164618
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
3-[3-[4-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 6990058

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole (CID 170864334) is 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole is CN1CCN(CCCc2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole?
The InChIKey is MQMRBUNQTWOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25-12-14-26(15-13-25)11-5-8-20-17-24-23-16-21(9-10-22(20)23)27-18-19-6-3-2-4-7-19/h2-4,6-7,9-10,16-17,24H,5,8,11-15,18H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole?
3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole has a molecular weight of 363.51 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)propyl]-6-phenylmethoxy-1H-indole is sourced from PubChem (CID 170864334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).